#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppq n ALA 958 N 0.00 1.24 -3.25 -1.84 0.00 -1.26 -5.06 120.51 110.34 1ppq n ALA 958 Ca 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 53.44 50.94 1ppq n ALA 958 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1ppq n ALA 958 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ppq s GLU 959 N 0.18 0.64 -1.15 0.00 2.56 -1.26 -5.08 118.70 114.59 1ppq s GLU 959 Ca 0.32 -0.11 -0.10 0.00 0.00 0.00 0.00 54.97 55.07 1ppq s GLU 959 Cb 0.06 -0.11 0.24 0.00 2.00 0.00 0.00 34.13 36.31 1ppq s GLU 959 CO -0.15 -1.13 1.25 0.00 -0.56 0.00 0.00 175.26 174.68 1ppq n ALA 960 N 4.81 4.17 -3.79 6.30 0.00 -1.26 -4.86 120.51 125.88 1ppq n ALA 960 Ca 0.07 -4.53 -0.04 0.00 0.00 0.00 0.00 53.44 48.94 1ppq n ALA 960 Cb 0.52 -2.66 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 1ppq n ALA 960 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ppq s LYS 961 N -0.37 1.38 -0.24 0.00 2.20 -1.26 -4.74 119.74 116.71 1ppq s LYS 961 Ca 0.35 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 55.11 1ppq s LYS 961 Cb -0.07 0.46 0.01 0.00 -1.51 0.00 0.00 37.83 36.73 1ppq s LYS 961 CO -0.04 -0.63 0.17 -1.13 -0.36 0.00 0.00 175.35 173.35 1ppq n SER 962 N -0.54 -7.25 -4.74 1.43 3.41 -1.26 -4.89 113.62 99.78 1ppq n SER 962 Ca -0.05 0.78 -0.41 0.00 -0.26 0.00 0.00 58.87 58.93 1ppq n SER 962 Cb 0.60 -3.68 -0.05 0.00 -0.26 0.00 0.00 64.21 60.82 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppq s LYS 964 N -0.69 2.49 0.29 0.00 1.02 -1.25 -4.92 119.74 116.68 1ppq s LYS 964 Ca 0.45 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 57.29 1ppq s LYS 964 Cb -0.27 -4.46 -0.12 0.00 -0.52 0.00 0.00 37.83 32.46 1ppq s LYS 964 CO 0.33 -2.86 1.49 0.25 -0.92 0.00 0.00 175.35 173.64 1ppq n THR 965 N 7.63 1.20 -2.46 2.17 -2.24 -1.26 -4.76 114.28 114.56 1ppq n THR 965 Ca 0.29 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 1ppq n THR 965 Cb 0.52 -1.75 -0.03 0.00 -2.10 0.00 0.00 70.33 66.97 1ppq n THR 965 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ppq s PRO 966 N -0.78 3.69 0.15 -0.78 0.04 -1.26 -4.99 135.00 131.07 1ppq s PRO 966 Ca 0.63 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 1ppq s PRO 966 Cb -0.55 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 1ppq s PRO 966 CO 0.52 -0.53 1.55 -1.25 0.04 0.00 0.00 177.00 177.33 1ppq s PRO 967 N -3.29 4.23 0.14 0.56 0.04 -1.26 -4.93 135.00 130.49 1ppq s PRO 967 Ca 0.68 2.31 -0.32 0.00 0.04 0.00 0.00 61.00 63.71 1ppq s PRO 967 Cb -0.18 -3.20 -0.12 0.00 0.04 0.00 0.00 34.50 31.05 1ppq s PRO 967 CO 0.22 -0.59 1.76 -0.40 0.04 0.00 0.00 177.00 178.03 1ppq n ASP 968 N 4.08 3.78 -4.64 6.66 5.75 -1.26 -4.53 116.55 126.39 1ppq n ASP 968 Ca 0.14 1.03 -0.41 0.00 -0.01 0.00 0.00 54.79 55.54 1ppq n ASP 968 Cb 0.39 -1.51 0.02 0.00 -1.03 0.00 0.00 41.12 38.99 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1ppq n PRO 969 N 4.79 1.47 -1.74 0.11 -0.02 -1.26 -4.86 135.00 133.49 1ppq n PRO 969 Ca 0.18 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 1ppq n PRO 969 Cb 0.34 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1ppq n PRO 969 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1ppq n VAL 970 N -0.63 3.47 0.00 -1.45 3.14 -1.26 -1.91 118.33 119.69 1ppq n VAL 970 Ca 0.09 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1ppq n VAL 970 Cb 0.41 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.51 1ppq n VAL 970 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ppq n ASN 971 N -0.68 0.00 0.00 6.55 3.02 -1.26 -4.63 115.26 118.26 1ppq n ASN 971 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1ppq n ASN 971 Cb 0.43 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1ppq n ASN 971 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ppq n GLY 972 N -0.09 5.13 2.28 7.41 0.00 -0.80 -4.53 105.19 114.58 1ppq n GLY 972 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 1ppq n GLY 972 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ppq n MET 973 N 0.00 0.50 -1.42 1.61 0.00 -1.24 -4.39 117.12 112.18 1ppq n MET 973 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 57.70 56.54 1ppq n MET 973 Cb 0.00 1.37 0.06 0.00 0.00 0.00 0.00 33.22 34.65 1ppq n MET 973 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1ppq n VAL 974 N -0.39 0.00 -3.29 3.17 0.24 -1.26 -1.93 118.33 114.86 1ppq n VAL 974 Ca -0.03 -0.69 -0.15 0.00 -2.04 0.00 0.00 64.34 61.44 1ppq n VAL 974 Cb 0.35 -1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 31.40 1ppq n VAL 974 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1ppq s HIS 975 N -1.50 -0.43 -0.52 6.34 2.46 0.57 -4.58 115.29 117.63 1ppq s HIS 975 Ca 0.32 -0.85 -0.26 0.00 0.47 0.00 0.00 55.06 54.74 1ppq s HIS 975 Cb -0.02 -0.31 -0.05 0.00 -0.13 0.00 0.00 32.58 32.08 1ppq s HIS 975 CO 0.21 -1.01 2.15 0.08 -2.47 0.00 0.00 174.74 173.70 1ppq s VAL 976 N 1.27 3.17 0.31 0.89 1.01 -1.26 -2.96 120.40 122.83 1ppq s VAL 976 Ca 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1ppq s VAL 976 Cb -0.11 -3.43 0.26 0.00 0.00 0.00 0.00 36.38 33.10 1ppq s VAL 976 CO -0.05 -0.40 1.97 0.40 0.00 0.00 0.00 175.10 177.03 1ppq h ILE 977 N 7.30 1.20 0.00 2.22 2.04 -1.92 -3.43 117.51 124.91 1ppq h ILE 977 Ca -0.26 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1ppq h ILE 977 Cb 1.22 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1ppq h ILE 977 CO 1.17 0.20 0.00 0.41 0.00 0.00 0.00 178.15 179.93 1ppq n THR 978 N -4.41 0.00 -3.56 -0.27 -1.04 -1.26 -5.16 114.28 98.58 1ppq n THR 978 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1ppq n THR 978 Cb 0.03 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1ppq n THR 978 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ppq n ASP 979 N -3.41 0.00 -2.21 8.00 5.68 -1.26 -5.09 116.55 118.26 1ppq n ASP 979 Ca 0.00 -0.83 -0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1ppq n ASP 979 Cb 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.02 1ppq n ASP 979 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1ppq n ILE 980 N 0.00 0.50 -2.31 2.12 -5.35 -1.26 -4.72 119.36 108.34 1ppq n ILE 980 Ca 0.00 -1.62 -0.03 0.00 -0.27 0.00 0.00 62.75 60.83 1ppq n ILE 980 Cb 0.00 1.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.97 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ppq n GLN 981 N -0.44 0.52 -2.11 6.28 6.02 -1.26 -2.53 117.38 123.86 1ppq n GLN 981 Ca -0.03 -0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 56.14 1ppq n GLN 981 Cb 0.89 -0.10 -0.03 0.00 1.02 0.00 0.00 30.24 32.03 1ppq n GLN 981 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ppq s VAL 982 N -0.23 3.07 0.00 5.09 1.01 -1.26 -2.24 120.40 125.83 1ppq s VAL 982 Ca 0.10 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1ppq s VAL 982 Cb -0.01 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1ppq s VAL 982 CO 0.06 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1ppq n GLY 983 N 3.14 1.03 3.76 4.51 0.00 -1.08 -5.05 105.19 111.51 1ppq n GLY 983 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ppq n GLY 983 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppq s SER 984 N -2.72 3.46 -0.42 1.61 1.04 -0.95 -4.86 113.70 110.86 1ppq s SER 984 Ca 0.00 1.10 0.05 0.00 0.48 0.00 0.00 55.95 57.58 1ppq s SER 984 Cb 0.00 -1.72 0.17 0.00 0.10 0.00 0.00 66.02 64.57 1ppq s SER 984 CO 0.00 -2.60 0.52 -0.60 0.98 0.00 0.00 173.24 171.55 1ppq s ARG 985 N -5.17 0.83 0.88 4.02 3.52 -1.26 -2.72 118.95 119.05 1ppq s ARG 985 Ca 0.64 -0.91 -0.15 0.00 -0.13 0.00 0.00 55.73 55.18 1ppq s ARG 985 Cb -0.16 -0.43 0.21 0.00 -1.56 0.00 0.00 34.95 33.01 1ppq s ARG 985 CO 0.55 -1.25 1.05 0.44 -0.81 0.00 0.00 175.30 175.27 1ppq n ILE 986 N 3.81 0.00 -3.95 4.11 -5.35 -0.98 -4.81 119.36 112.18 1ppq n ILE 986 Ca 0.15 -0.68 -0.09 0.00 -0.27 0.00 0.00 62.75 61.86 1ppq n ILE 986 Cb 0.51 -1.46 -0.11 0.00 -1.74 0.00 0.00 39.64 36.84 1ppq n ILE 986 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1ppq s THR 987 N -3.17 0.11 -0.16 7.28 -4.23 -1.15 -2.39 115.64 111.92 1ppq s THR 987 Ca 0.62 -0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 1ppq s THR 987 Cb -0.03 -0.43 -0.05 0.00 1.34 0.00 0.00 72.50 73.34 1ppq s THR 987 CO 0.45 -0.51 0.22 -0.31 -0.54 0.00 0.00 174.62 173.93 1ppq s TYR 988 N -1.67 3.47 -0.22 3.99 2.02 -0.90 -0.31 117.35 123.72 1ppq s TYR 988 Ca -0.14 0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 57.00 1ppq s TYR 988 Cb -0.08 -2.23 -0.19 0.00 -0.40 0.00 0.00 41.96 39.06 1ppq s TYR 988 CO -0.01 0.33 -0.03 0.45 -1.57 0.00 0.00 175.55 174.71 1ppq n SER 989 N 3.31 1.99 -1.12 2.29 2.88 -0.81 -4.92 113.62 117.24 1ppq n SER 989 Ca -0.14 0.16 0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1ppq n SER 989 Cb 0.52 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1ppq n SER 989 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppq n THR 991 N -2.98 0.00 0.00 0.00 -2.24 -1.26 -4.53 114.28 103.26 1ppq n THR 991 Ca 0.01 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ppq n THR 991 Cb 0.35 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1ppq n THR 991 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ppq n THR 992 N 0.00 0.00 -2.07 4.28 -1.04 -1.26 -4.95 114.28 109.23 1ppq n THR 992 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1ppq n THR 992 Cb 0.00 -0.06 0.03 0.00 -1.82 0.00 0.00 70.33 68.49 1ppq n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ppq n GLY 993 N 1.50 5.65 3.15 3.41 0.00 -1.26 -4.94 105.19 112.69 1ppq n GLY 993 Ca 0.00 -2.51 -0.26 0.00 0.00 0.00 0.00 46.02 43.26 1ppq n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppq s HIS 994 N -4.11 1.66 0.02 1.61 4.02 -1.26 -3.04 115.29 114.19 1ppq s HIS 994 Ca 0.50 -0.42 -0.08 0.00 1.02 0.00 0.00 55.06 56.07 1ppq s HIS 994 Cb 0.39 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.58 30.80 1ppq s HIS 994 CO -0.36 -0.11 0.31 0.50 1.02 0.00 0.00 174.74 176.10 1ppq s ARG 995 N -0.12 3.66 -0.14 1.40 6.06 0.23 -4.85 118.95 125.18 1ppq s ARG 995 Ca 0.00 0.04 -0.20 0.00 -2.50 0.00 0.00 55.73 53.06 1ppq s ARG 995 Cb -0.10 -3.07 -0.03 0.00 0.06 0.00 0.00 34.95 31.81 1ppq s ARG 995 CO 0.01 0.63 0.59 -1.17 -2.50 0.00 0.00 175.30 172.87 1ppq s LEU 996 N -1.71 4.23 -1.18 -0.88 0.20 -1.26 -1.62 118.68 116.45 1ppq s LEU 996 Ca 0.28 0.91 -0.21 0.00 0.69 0.00 0.00 54.13 55.79 1ppq s LEU 996 Cb -0.14 -2.87 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 1ppq s LEU 996 CO 0.16 -0.15 1.83 -0.63 -0.29 0.00 0.00 176.35 177.27 1ppq s ILE 997 N 1.23 3.77 0.00 6.68 1.09 -1.15 -4.21 121.20 128.61 1ppq s ILE 997 Ca 0.30 -1.20 0.00 0.00 -1.10 0.00 0.00 60.65 58.65 1ppq s ILE 997 Cb -0.16 -4.77 0.00 0.00 -1.06 0.00 0.00 42.46 36.47 1ppq s ILE 997 CO 0.12 -1.42 0.00 0.61 -0.10 0.00 0.00 174.94 174.15 1ppq n GLY 998 N 5.85 -1.53 0.00 6.18 0.00 -1.26 -4.38 105.19 110.05 1ppq n GLY 998 Ca 0.45 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1ppq n GLY 998 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ppq n HIS 999 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -5.09 115.22 110.48 1ppq n HIS 999 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1ppq n HIS 999 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1ppq n HIS 999 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ppq n SER 1000N -0.43 0.00 -2.47 0.26 2.88 -1.26 -4.84 113.62 107.76 1ppq n SER 1000Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1ppq n SER 1000Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ppq n SER 1000CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ppq n SER 1001N -0.32 0.03 -3.81 -3.46 3.41 -1.26 -2.12 113.62 106.09 1ppq n SER 1001Ca 0.00 -2.27 -0.13 0.00 -0.26 0.00 0.00 58.87 56.21 1ppq n SER 1001Cb 0.00 0.87 -0.14 0.00 -0.26 0.00 0.00 64.21 64.68 1ppq n SER 1001CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppq s ALA 1002N -2.75 -0.15 -0.15 7.33 0.00 -1.00 -4.69 121.76 120.35 1ppq s ALA 1002Ca 0.20 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1ppq s ALA 1002Cb 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1ppq s ALA 1002CO 0.14 -0.07 -0.17 -2.00 0.00 0.00 0.00 175.76 173.65 1ppq s GLU 1003N 0.46 2.60 -0.62 0.00 2.12 -1.26 -2.32 118.70 119.68 1ppq s GLU 1003Ca -0.04 -0.69 -0.27 0.00 0.36 0.00 0.00 54.97 54.34 1ppq s GLU 1003Cb -0.05 -2.26 0.01 0.00 0.26 0.00 0.00 34.13 32.09 1ppq s GLU 1003CO -0.02 -0.16 1.46 0.00 -0.54 0.00 0.00 175.26 176.00 1ppq s ILE 1005N 6.53 1.64 -0.68 0.00 -4.36 0.40 -2.63 121.20 122.11 1ppq s ILE 1005Ca 0.50 -1.10 -0.26 0.00 -0.26 0.00 0.00 60.65 59.53 1ppq s ILE 1005Cb -0.10 -1.41 -0.01 0.00 1.25 0.00 0.00 42.46 42.19 1ppq s ILE 1005CO 0.21 0.27 1.68 -0.76 0.24 0.00 0.00 174.94 176.59 1ppq s LEU 1006N -0.97 3.25 -0.25 0.37 1.43 -1.26 -3.10 118.68 118.14 1ppq s LEU 1006Ca 0.07 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1ppq s LEU 1006Cb -0.08 -2.54 0.44 0.00 0.03 0.00 0.00 46.19 44.03 1ppq s LEU 1006CO 0.01 -2.22 1.51 -1.20 0.23 0.00 0.00 176.35 174.68 1ppq n SER 1007N 11.73 3.57 0.00 2.29 7.64 -1.25 -4.85 113.62 132.75 1ppq n SER 1007Ca 0.17 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1ppq n SER 1007Cb 0.51 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1ppq n SER 1007CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppq n GLY 1008N -0.33 -1.46 0.01 0.23 0.00 -1.26 -4.94 105.19 97.44 1ppq n GLY 1008Ca 0.33 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1ppq n GLY 1008CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ppq n ASN 1009N 0.00 0.15 -3.80 1.61 6.94 -1.26 -5.07 115.26 113.83 1ppq n ASN 1009Ca 0.00 -1.09 -0.13 0.00 -0.02 0.00 0.00 54.58 53.34 1ppq n ASN 1009Cb 0.00 -0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.29 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1ppq s THR 1010N -0.08 -0.01 -0.27 5.53 2.01 -1.26 -4.97 115.64 116.59 1ppq s THR 1010Ca 0.00 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 1ppq s THR 1010Cb 0.00 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1ppq s THR 1010CO 0.00 0.01 1.50 0.00 -0.69 0.00 0.00 174.62 175.43 1ppq s ALA 1011N 0.24 3.26 0.33 7.40 0.00 -1.26 -3.91 121.76 127.81 1ppq s ALA 1011Ca -0.01 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1ppq s ALA 1011Cb -0.02 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 1ppq s ALA 1011CO -0.01 -1.97 0.09 -1.01 0.00 0.00 0.00 175.76 172.86 1ppq s HIS 1012N 5.04 1.78 0.06 0.00 3.76 -1.18 -3.79 115.29 120.96 1ppq s HIS 1012Ca 0.66 -1.13 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1ppq s HIS 1012Cb -0.21 -1.12 -0.06 0.00 1.11 0.00 0.00 32.58 32.30 1ppq s HIS 1012CO 0.28 -0.20 0.44 -1.58 -0.85 0.00 0.00 174.74 172.82 1ppq s TRP 1013N -3.42 3.65 -0.03 1.40 0.52 -1.26 -0.45 118.94 119.35 1ppq s TRP 1013Ca 0.34 0.93 0.30 0.00 0.02 0.00 0.00 56.10 57.68 1ppq s TRP 1013Cb 0.07 -2.25 1.44 0.00 -1.15 0.00 0.00 33.47 31.57 1ppq s TRP 1013CO 0.15 0.55 1.89 0.77 0.02 0.00 0.00 176.95 180.33 1ppq h SER 1014N 4.07 0.00 -3.18 2.95 0.02 -1.52 -3.42 113.55 112.47 1ppq h SER 1014Ca -0.50 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.79 1ppq h SER 1014Cb 1.20 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.60 1ppq h SER 1014CO 0.64 0.00 -0.59 0.28 -1.14 0.00 0.00 176.83 176.03 1ppq s THR 1015N -3.64 4.61 1.03 -2.27 -1.32 -1.26 -5.00 115.64 107.79 1ppq s THR 1015Ca -0.01 -0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.24 1ppq s THR 1015Cb 0.09 -2.99 0.21 0.00 -1.51 0.00 0.00 72.50 68.30 1ppq s THR 1015CO 0.36 0.57 1.09 -1.59 -2.21 0.00 0.00 174.62 172.84 1ppq s LYS 1016N -0.56 0.14 -0.43 7.08 0.00 -1.26 -4.82 119.74 119.89 1ppq s LYS 1016Ca 0.10 1.25 -0.46 0.00 0.00 0.00 0.00 55.97 56.86 1ppq s LYS 1016Cb -0.12 -1.65 -0.20 0.00 0.00 0.00 0.00 37.83 35.87 1ppq s LYS 1016CO 0.02 -3.14 1.56 -2.30 0.00 0.00 0.00 175.35 171.50 1ppq n PRO 1017N -4.55 0.12 -2.54 1.78 -0.02 -1.26 -4.86 135.00 123.67 1ppq n PRO 1017Ca 0.08 0.04 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 1ppq n PRO 1017Cb 0.53 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.40 1ppq n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ppq s PRO 1018N 2.76 4.47 0.24 0.52 0.04 -1.26 -5.01 135.00 136.76 1ppq s PRO 1018Ca 1.03 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.77 1ppq s PRO 1018Cb -1.43 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 1ppq s PRO 1018CO 0.78 0.11 -0.08 0.42 0.04 0.00 0.00 177.00 178.26 1ppq s ILE 1019N -1.38 1.57 -0.30 0.56 1.01 -1.26 -4.51 121.20 116.89 1ppq s ILE 1019Ca 0.50 -2.14 -0.02 0.00 0.00 0.00 0.00 60.65 58.99 1ppq s ILE 1019Cb -0.27 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 40.02 1ppq s ILE 1019CO 0.34 -0.42 0.10 0.00 0.00 0.00 0.00 174.94 174.96 1ppq s GLN 1021N 1.73 3.24 0.44 0.00 0.74 -0.64 -4.75 119.66 120.41 1ppq s GLN 1021Ca 0.09 -0.52 -0.25 0.00 0.05 0.00 0.00 55.36 54.73 1ppq s GLN 1021Cb -0.17 -2.77 -0.08 0.00 1.10 0.00 0.00 33.01 31.09 1ppq s GLN 1021CO -0.28 0.45 1.36 -0.98 -0.55 0.00 0.00 175.29 175.30 1ppq s ARG 1022N -0.22 3.78 -0.18 1.67 3.03 -1.26 -0.60 118.95 125.17 1ppq s ARG 1022Ca 0.04 2.27 -0.24 0.00 2.03 0.00 0.00 55.73 59.83 1ppq s ARG 1022Cb -0.13 -2.67 -0.21 0.00 -1.03 0.00 0.00 34.95 30.91 1ppq s ARG 1022CO 0.02 -0.69 0.43 0.82 -1.13 0.00 0.00 175.30 174.76 1ppq h ILE 1023N 2.30 1.25 0.00 4.99 2.04 -1.91 -3.45 117.51 122.74 1ppq h ILE 1023Ca -0.50 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.16 1ppq h ILE 1023Cb 1.26 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1ppq h ILE 1023CO 0.61 0.42 0.00 -0.81 0.00 0.00 0.00 178.15 178.38